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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jun-2020 | NiFeNiO4_vc_001_2_Fe_OOH1 | Chuong Nguyën, Huu | QuantumEspresso; 6.2; 13949:13950 | Geometry optimization | PBE | Ultrasoft | -146169.023958; eV | |||
 | 26-Jun-2020 | NiFeNiO4_001_Ni_OOH1 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | Geometry optimization | PBE | Ultrasoft | -146169.889221; eV | |||
 | 26-Jun-2020 | FeNi2O4U4_2 | Chuong Nguyën, Huu | QuantumEspresso; 6.2; 13949:13950 | Geometry optimization | PBE | Ultrasoft | -116237.548071; eV | |||
 | 26-Jun-2020 | NiFeNiO4_vc_001_2 | Chuong Nguyën, Huu | QuantumEspresso; 6.2; 13949:13950 | Geometry optimization | PBE | Ultrasoft | -145282.392258; eV | |||
 | 26-Jun-2020 | NiFeNiO4_vc_001_2_Fe_O1 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | Geometry optimization | PBE | Ultrasoft | -145715.799598; eV | |||
 | 26-Jun-2020 | cube_001_4nOH1 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | Geometry optimization | PBE | Ultrasoft | -163441.800094; eV | |||
 | 26-Jun-2020 | cube_001_4nOOH1 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | Geometry optimization | PBE | Ultrasoft | -163875.357098; eV | |||
 | 26-Jun-2020 | NiFeNiO4_vc | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | Geometry optimization | PBE | Ultrasoft | -116253.569471; eV | |||
 | 26-Jun-2020 | c00080 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | Geometry optimization | PBE | Ultrasoft | -129138.176070; eV | |||
 | 26-Jun-2020 | c00095 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | Geometry optimization | PBE | Ultrasoft | -129138.298871; eV |
Results 1-10 of 174 (Search time: 0.001 seconds).